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Nonparametric Pre-Processing Methods and Inference Tools for Analyzing Time-of-Flight Mass Spectrometry Data

机译:用于分析飞行时间质谱数据的非参数预处理方法和推理工具

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摘要

The objective of this paper is to contribute to the methodology available for extracting and analyzing signal content from protein mass spectrometry data. Data from MALDI-TOF or SELDI-TOF spectra require considerable signal pre-processing such as noise removal and baseline level error correction. After removing the noise by an invariant wavelet transform, we develop a background correction method based on penalized spline quantile regression and apply it to MALDI-TOF (matrix assisted laser deabsorbtion time-of-flight) spectra obtained from serum samples. The results show that the wavelet transform technique combined with nonparametric quantile regression can handle all kinds of background and low signal-to-background ratio spectra; it requires no prior knowledge about the spectra composition, no selection of suitable background correction points, and no mathematical assumption of the background distribution. We further present a multi-scale based novel spectra alignment methodology useful in a functional analysis of variance method for identifying proteins that are differentially expressed between different type tissues. Our approaches are compared with several existing approaches in the recent literature and are tested on simulated and some real data. The results indicate that the proposed schemes enable accurate diagnosis based on the over-expression of a small number of identified proteins with high sensitivity.
机译:本文的目的是为可用于从蛋白质质谱数据中提取和分析信号含量的方法做出贡献。 MALDI-TOF或SELDI-TOF光谱中的数据需要大量的信号预处理,例如噪声去除和基线水平误差校正。在通过不变小波变换消除噪声后,我们开发了一种基于罚样条分位数回归的背景校正方法,并将其应用于从血清样品中获得的MALDI-TOF(基质辅助激光解吸飞行时间)光谱。结果表明,小波变换技术与非参数分位数回归相结合可以处理各种背景和低信噪比的光谱。它不需要有关光谱组成的先验知识,不需要选择合适的背景校正点,也不需要背景分布的数学假设。我们进一步提出了一种基于多尺度的新颖光谱比对方法,该方法可用于方差分析的功能分析中,以鉴定在不同类型组织之间差异表达的蛋白质。我们的方法与最新文献中的几种现有方法进行了比较,并在模拟数据和一些实际数据上进行了测试。结果表明,所提出的方案能够基于少量识别的蛋白的过表达而进行高准确度的诊断,具有很高的灵敏度。

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